3-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxolane

C10H20O2 — CID 21352273

IUPAC3-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxolane
SMILESCC(C)(C)OCCC1CCOC1
InChIInChI=1S/C10H20O2/c1-10(2,3)12-7-5-9-4-6-11-8-9/h9H,4-8H2,1-3H3
InChIKeyMIWHAXZCDWMXFJ-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.23
Rot. Bonds3

About 3-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxolane

3-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxolane (PubChem CID 21352273) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxolane.

Molecular Properties

Compound Name3-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxolane
PubChem CID21352273
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name3-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxolane
SMILESCC(C)(C)OCCC1CCOC1
InChIInChI=1S/C10H20O2/c1-10(2,3)12-7-5-9-4-6-11-8-9/h9H,4-8H2,1-3H3
InChIKeyMIWHAXZCDWMXFJ-UHFFFAOYSA-N
XLogP2.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxolane?
The IUPAC name of 3-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxolane (CID 21352273) is 3-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxolane.
What is the SMILES notation for 3-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxolane?
The canonical SMILES for 3-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxolane is CC(C)(C)OCCC1CCOC1.
What is the InChIKey of 3-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxolane?
The InChIKey is MIWHAXZCDWMXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-10(2,3)12-7-5-9-4-6-11-8-9/h9H,4-8H2,1-3H3.
What are the key properties of 3-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxolane?
3-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxolane has a molecular weight of 172.27 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxolane is sourced from PubChem (CID 21352273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).